4321-0064 Screening compound: ethyl 2-[2-(2,4-dichloro-6-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

4321-0064 Screening compound: ethyl 2-[2-(2,4-dichloro-6-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
4321-0064 Screening compound: ethyl 2-[2-(2,4-dichloro-6-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4321-0064
ethyl 2-[2-(2,4-dichloro-6-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4321-0064

Molecular Formula

C20H21Cl2NO4S (C20 H21 Cl2 NO4 S)

Compound Name

ethyl 2-[2-(2,4-dichloro-6-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(24-dichloro-6-methylphenoxy)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COc(c(C)cc(Cl)c2)c2Cl)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C20H21Cl2NO4S/c1-3-26-20(25)17-13-6-4-5-7-15(13)28-19(17)23-16(24)10-27-18-11(2)8-12(21)9-14(18)22/h8-9H,3-7,10H2,1-2H3,(H,23,24)

InChI Key

YMYNRIHJBGGYQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02615213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.122

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-6.42

Polar Surface Area

51.257

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4321-0064 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4321-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4321-0064?
Check Price and Availability of 4321-0064, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4321-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4321-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4321-0064
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4321-0064 available by request